Chemotion - NMRium schema compatibility

[vcnainala]

Compare the current compatible version of chemotion - nmrium-react-wrapper schemas with the latest schema from the nmrium-react-wrapper and make the differences for the chemotion migration

[baolanlequang]

@CS76 here are the files. In this zip file that you will get:

• 1H.edit.jdx: the original file
• 1H_chemspectra.nmrium: the generated file from our side (chemspectra)
• 1H_nmrium_generated (8).json: the file stores data from nmrium-wrapper

nmrium_eln.zip

[vcnainala]

@hamed-musallam can we pls compare this with the latest NMRium - React wrapper compatible Schema .. ?

[hamed-musallam]

@CS76

After examining the files from Lan, I discovered that their generated file, 1H_chemspectra.nmrium, is using version 3. This version uses an older method of linking the source file and a structure distinct from version 4. which they get from the nmrium-wrapper callback 1H_nmrium_generated (8).json

changes from version 3 to version 4

https://github.com/cheminfo/nmr-load-save/blob/f8992878dd97ec38e05c2ad0e6a59698323ae6ba/src/migration/migrateToVersion4.ts#L1-L97

[hamed-musallam]

The latest development release of nmrium-wrapper use the most recent version of NMRium, which use a version 5 data structure. This structure introduces minor modifications in the peaks, integrals, ranges, and zones. Each of these now has objects with the prefix original, representing the original value without the shift, and key which includes the spectrum shift.

for example, let's assume we shift the spectrum along the x-axis with5 PPm and we have a peak x = 2 PPM, The originalX= 2 PPM, and x = 7 PPM

[vcnainala]

@baolanlequang Is this resolved?

[baolanlequang]

@CS76 We're using NMRium v0.4.0 for ELN. For the backend, we haven't upgraded to generating version 4 yet.